4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C22H19N3O — CID 699668

IUPAC4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCOc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H19N3O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17/h2-15,22H,1H3,(H,23,24,25)
InChIKeyXQUOGOQYORWAMM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 699668) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID699668
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCOc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H19N3O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17/h2-15,22H,1H3,(H,23,24,25)
InChIKeyXQUOGOQYORWAMM-UHFFFAOYSA-N
XLogP4.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 699668) is 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is XQUOGOQYORWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-19-14-12-18(13-15-19)22-24-20(16-8-4-2-5-9-16)23-21(25-22)17-10-6-3-7-11-17/h2-15,22H,1H3,(H,23,24,25).
What are the key properties of 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 341.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 699668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).